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#! /bin/bash cd /home/admin815/program/mgltools/VirtualScreen/ligand ls *.pdbqt > ../etc/ligand.list cd ../docking for i in $(cat ../etc/ligand.list) do f=${i%.pdbqt} mkdir $f cd $f cp ../../ligand/$i . ln -s ../../receptor/receptor.pdbqt . ln -s ../../receptor/*map* . ../pythonsh /home/admin815/program/mgltools/VirtualScreen/script/prepare_dpf4.py -l $i -r \ receptor.pdbqt [-o ${f}_receptor.dpf] -p ga_num_evals=1750000 \ -p ga_pop_size=150 \ -p ga_run=20 \ -p rmstol=2.0 cd .. done ¿ÉÒÔÔËÐУ¬Éú³Édpf #! /bin/bash cd ../docking for i in $(cat ../etc/ligand.list) do f=${i%.pdbqt} cd $f autodock4 -p ${f}_receptor.dpf -l ${f}_receptor.dlg cd .. done Õâ¸ö¾Í²»ÐÐÁË£¬cannot executed binary file:Exec format error Çë´ó¼Ò°ïæ¿´¿´ |
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